CID 497624

Schembl9561700

Structural Information

Molecular Formula
C24H33NO
SMILES
C1CC2(CCCN2C1)C(C3C4CC5CC(C4)CC3C5)(C6=CC=CC=C6)O
InChI
InChI=1S/C24H33NO/c26-24(21-6-2-1-3-7-21,23-8-4-10-25(23)11-5-9-23)22-19-13-17-12-18(15-19)16-20(22)14-17/h1-3,6-7,17-20,22,26H,4-5,8-16H2
InChIKey
JAVIYPCEHQTBLJ-UHFFFAOYSA-N
Compound name
2-adamantyl-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

351.25623 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 177.9
[M+Na]+ 374.24545 176.3
[M-H]- 350.24895 176.2
[M+NH4]+ 369.29005 198.9
[M+K]+ 390.21939 169.5
[M+H-H2O]+ 334.25349 168.7
[M+HCOO]- 396.25443 177.2
[M+CH3COO]- 410.27008 182.7
[M+Na-2H]- 372.23090 180.3
[M]+ 351.25568 172.2
[M]- 351.25678 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.